(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine

C19H27N3O — CID 130466001

IUPAC(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine
SMILESCC(C)N[C@@H](C)[C@H](c1ccc(Oc2ccccn2)cc1)N(C)C
InChIInChI=1S/C19H27N3O/c1-14(2)21-15(3)19(22(4)5)16-9-11-17(12-10-16)23-18-8-6-7-13-20-18/h6-15,19,21H,1-5H3/t15-,19+/m0/s1
InChIKeyLTDOUHZEHCAGHN-HNAYVOBHSA-N
MW313.44 g/mol
LogP3.86
Rot. Bonds7

About (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine

(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine (PubChem CID 130466001) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine
PubChem CID130466001
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine
SMILESCC(C)N[C@@H](C)[C@H](c1ccc(Oc2ccccn2)cc1)N(C)C
InChIInChI=1S/C19H27N3O/c1-14(2)21-15(3)19(22(4)5)16-9-11-17(12-10-16)23-18-8-6-7-13-20-18/h6-15,19,21H,1-5H3/t15-,19+/m0/s1
InChIKeyLTDOUHZEHCAGHN-HNAYVOBHSA-N
XLogP3.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N,N,2-trimethyl-1-(4-pyridin-2-yloxyphenyl)propan-1-amine
CID 118928757
4-[(2R)-butan-2-yl]-N-methyl-N-(4-pyridin-2-yloxyphenyl)aniline
CID 118954610
ethane;2-phenoxypyridine
CID 90835857
(4-pyridin-2-yloxyphenyl)hydrazine
CID 69019793
N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine
CID 118954586
2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]pyridine
CID 91366744
8-[[1-[4-(benzenesulfonyl)phenyl]-1-(dimethylamino)propan-2-yl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one;4-[[(1S,2S)-1-[4-(cyclopropylmethoxy)phenyl]-1-(dimethylamino)propan-2-yl]amino]-2-methylphthalazin-1-one;4-[[(1S,2S)-1-(dimethylamino)-1-(4-phenoxyphenyl)propan-2-yl]amino]-2-methylphthalazin-1-one;4-[[(1S,2S)-1-(dimethylamino)-1-(4-pyridin-2-yloxyphenyl)propan-2-yl]amino]-2-methylphthalazin-1-one
CID 161304956
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline
CID 118954660
N'-methyl-N-(4-pyridin-2-yloxyphenyl)ethanimidamide
CID 144757273
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 30901572
2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
CID 90870284

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine?
The IUPAC name of (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine (CID 130466001) is (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine.
What is the SMILES notation for (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine?
The canonical SMILES for (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine is CC(C)N[C@@H](C)[C@H](c1ccc(Oc2ccccn2)cc1)N(C)C.
What is the InChIKey of (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine?
The InChIKey is LTDOUHZEHCAGHN-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)21-15(3)19(22(4)5)16-9-11-17(12-10-16)23-18-8-6-7-13-20-18/h6-15,19,21H,1-5H3/t15-,19+/m0/s1.
What are the key properties of (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine?
(1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine has a molecular weight of 313.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-N,1-N-dimethyl-2-N-propan-2-yl-1-(4-pyridin-2-yloxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 130466001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).