(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride

C20H23ClN2 — CID 154734790

IUPAC(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESC[C@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)c1ccccc1.Cl
InChIInChI=1S/C20H22N2.ClH/c1-14(15-7-3-2-4-8-15)21-16-11-12-20-18(13-16)17-9-5-6-10-19(17)22-20;/h2-10,14,16,21-22H,11-13H2,1H3;1H/t14-,16+;/m0./s1
InChIKeyXVGZHMROJJHGGF-KUARMEPBSA-N
MW326.87 g/mol
LogP4.80
Rot. Bonds3

About (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride

(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride (PubChem CID 154734790) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
PubChem CID154734790
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESC[C@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)c1ccccc1.Cl
InChIInChI=1S/C20H22N2.ClH/c1-14(15-7-3-2-4-8-15)21-16-11-12-20-18(13-16)17-9-5-6-10-19(17)22-20;/h2-10,14,16,21-22H,11-13H2,1H3;1H/t14-,16+;/m0./s1
InChIKeyXVGZHMROJJHGGF-KUARMEPBSA-N
XLogP4.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
3-N-[(1S)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine
CID 67618667
(3R)-6-bromo-N-[(1R)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 54353659
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate
CID 97308735
3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 57257831
(2S)-5-methyl-N-[(1R)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158552028
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The IUPAC name of (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride (CID 154734790) is (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride is C[C@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)c1ccccc1.Cl.
What is the InChIKey of (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The InChIKey is XVGZHMROJJHGGF-KUARMEPBSA-N. The full InChI is InChI=1S/C20H22N2.ClH/c1-14(15-7-3-2-4-8-15)21-16-11-12-20-18(13-16)17-9-5-6-10-19(17)22-20;/h2-10,14,16,21-22H,11-13H2,1H3;1H/t14-,16+;/m0./s1.
What are the key properties of (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride is sourced from PubChem (CID 154734790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).