N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine

C22H26N2 — CID 1378371

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)23-15-14-19-16-24-22-9-5-4-8-21(19)22/h1-9,16,18,20,23-24H,10-15H2
InChIKeyVIRZUORMYSIWLM-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.03
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine

N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine (PubChem CID 1378371) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
PubChem CID1378371
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)23-15-14-19-16-24-22-9-5-4-8-21(19)22/h1-9,16,18,20,23-24H,10-15H2
InChIKeyVIRZUORMYSIWLM-UHFFFAOYSA-N
XLogP5.03
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium
CID 6983297
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
N-[4-[4-[2-(1H-indol-3-yl)ethylamino]piperidin-1-yl]phenyl]benzenesulfonamide
CID 42431865
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725
N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine (CID 1378371) is N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine is c1ccc(C2CCC(NCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine?
The InChIKey is VIRZUORMYSIWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)23-15-14-19-16-24-22-9-5-4-8-21(19)22/h1-9,16,18,20,23-24H,10-15H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine has a molecular weight of 318.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 1378371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).