1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol

C19H26N2O — CID 130451395

IUPAC1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1NCC[C@@H]1N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C19H26N2O/c1-13(22)12-19-18(10-11-20-19)21-14(2)16-9-5-7-15-6-3-4-8-17(15)16/h3-9,13-14,18-22H,10-12H2,1-2H3/t13?,14-,18+,19?/m1/s1
InChIKeyMAJWQDWNBPWIFO-XVJCXKAOSA-N
MW298.43 g/mol
LogP2.99
Rot. Bonds5

About 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol

1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol (PubChem CID 130451395) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol
PubChem CID130451395
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1NCC[C@@H]1N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C19H26N2O/c1-13(22)12-19-18(10-11-20-19)21-14(2)16-9-5-7-15-6-3-4-8-17(15)16/h3-9,13-14,18-22H,10-12H2,1-2H3/t13?,14-,18+,19?/m1/s1
InChIKeyMAJWQDWNBPWIFO-XVJCXKAOSA-N
XLogP2.99
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
3-(1-naphthalen-1-ylethylamino)piperidin-2-one
CID 62094476
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 156776321
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
(2S)-1-N-[(2-chlorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine;dihydrochloride
CID 158375573
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol (CID 130451395) is 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol is CC(O)CC1NCC[C@@H]1N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is MAJWQDWNBPWIFO-XVJCXKAOSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(22)12-19-18(10-11-20-19)21-14(2)16-9-5-7-15-6-3-4-8-17(15)16/h3-9,13-14,18-22H,10-12H2,1-2H3/t13?,14-,18+,19?/m1/s1.
What are the key properties of 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol?
1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 298.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 130451395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).