(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine

C18H19ClN2 — CID 58088531

IUPAC(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@H](c1ccccc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C18H19ClN2/c1-20-11-10-14(13-6-3-2-4-7-13)15-12-21-17-9-5-8-16(19)18(15)17/h2-9,12,14,20-21H,10-11H2,1H3/t14-/m1/s1
InChIKeyLBTPCMZCACRBSR-CQSZACIVSA-N
MW298.82 g/mol
LogP4.56
Rot. Bonds5

About (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine

(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088531) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID58088531
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@H](c1ccccc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C18H19ClN2/c1-20-11-10-14(13-6-3-2-4-7-13)15-12-21-17-9-5-8-16(19)18(15)17/h2-9,12,14,20-21H,10-11H2,1H3/t14-/m1/s1
InChIKeyLBTPCMZCACRBSR-CQSZACIVSA-N
XLogP4.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 58088510
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
CID 58088528
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
3-(4-chloro-1H-indol-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088597
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
4-chloro-3-[(1S)-1-phenylprop-2-enyl]-1H-indole
CID 134968895
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
CID 72707576
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine (CID 58088531) is (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine is CNCC[C@H](c1ccccc1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is LBTPCMZCACRBSR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-20-11-10-14(13-6-3-2-4-7-13)15-12-21-17-9-5-8-16(19)18(15)17/h2-9,12,14,20-21H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 298.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).