(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol

C19H24N2O — CID 7425045

IUPAC(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C19H24N2O/c1-3-15(13-22)20-12-14-9-10-19-17(11-14)16-7-5-6-8-18(16)21(19)4-2/h5-11,15,20,22H,3-4,12-13H2,1-2H3/t15-/m0/s1
InChIKeyGMDMEZBPLAVYCY-HNNXBMFYSA-N
MW296.41 g/mol
LogP3.67
Rot. Bonds6

About (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol

(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol (PubChem CID 7425045) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
PubChem CID7425045
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C19H24N2O/c1-3-15(13-22)20-12-14-9-10-19-17(11-14)16-7-5-6-8-18(16)21(19)4-2/h5-11,15,20,22H,3-4,12-13H2,1-2H3/t15-/m0/s1
InChIKeyGMDMEZBPLAVYCY-HNNXBMFYSA-N
XLogP3.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
2-[(9-ethylcarbazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 4722572
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
(1S)-N-[[9-ethyl-6-[[[(1S)-1-phenylethyl]amino]methyl]carbazol-3-yl]methyl]-1-phenylethanamine
CID 25214114
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol (CID 7425045) is (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol?
The InChIKey is GMDMEZBPLAVYCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-15(13-22)20-12-14-9-10-19-17(11-14)16-7-5-6-8-18(16)21(19)4-2/h5-11,15,20,22H,3-4,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol?
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 7425045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).