(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine

C14H19Cl2N3 — CID 141317255

IUPAC(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCC(C)N(C[C@@H]1C=C(N)NC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3/c1-9(2)19(8-10-5-14(17)18-7-10)11-3-4-12(15)13(16)6-11/h3-6,9-10,18H,7-8,17H2,1-2H3/t10-/m1/s1
InChIKeyOOTYMJBAYHWBJG-SNVBAGLBSA-N
MW300.23 g/mol
LogP3.23
Rot. Bonds4

About (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine

(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141317255) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141317255
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCC(C)N(C[C@@H]1C=C(N)NC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3/c1-9(2)19(8-10-5-14(17)18-7-10)11-3-4-12(15)13(16)6-11/h3-6,9-10,18H,7-8,17H2,1-2H3/t10-/m1/s1
InChIKeyOOTYMJBAYHWBJG-SNVBAGLBSA-N
XLogP3.23
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(4-fluoro-N-methylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317321
(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317316
(3S)-3-[[N-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxyanilino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317252
2-chloro-4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzonitrile
CID 79719772
(3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317344
4-(aminomethyl)-3-chloro-N-ethyl-N-propan-2-ylaniline
CID 62946685
4-bromo-3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24948466
(4R)-4-[(3,4-dichloro-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 25016534
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
N-(azetidin-3-ylmethyl)-N-benzyl-3,4-dichloroaniline
CID 118713776
N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 83821234
3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 54999584

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141317255) is (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine is CC(C)N(C[C@@H]1C=C(N)NC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is OOTYMJBAYHWBJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c1-9(2)19(8-10-5-14(17)18-7-10)11-3-4-12(15)13(16)6-11/h3-6,9-10,18H,7-8,17H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 300.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141317255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).