N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine

C24H31NO — CID 150436491

IUPACN-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
SMILESCCC(CC=Cc1ccccc1)(c1ccc(OC)cc1)N(C)CC1CC1
InChIInChI=1S/C24H31NO/c1-4-24(25(2)19-21-12-13-21,22-14-16-23(26-3)17-15-22)18-8-11-20-9-6-5-7-10-20/h5-11,14-17,21H,4,12-13,18-19H2,1-3H3
InChIKeyHKWJYANVCMFSJC-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.75
Rot. Bonds9

About N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine

N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine (PubChem CID 150436491) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
PubChem CID150436491
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine
SMILESCCC(CC=Cc1ccccc1)(c1ccc(OC)cc1)N(C)CC1CC1
InChIInChI=1S/C24H31NO/c1-4-24(25(2)19-21-12-13-21,22-14-16-23(26-3)17-15-22)18-8-11-20-9-6-5-7-10-20/h5-11,14-17,21H,4,12-13,18-19H2,1-3H3
InChIKeyHKWJYANVCMFSJC-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine (CID 150436491) is N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine is CCC(CC=Cc1ccccc1)(c1ccc(OC)cc1)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
The InChIKey is HKWJYANVCMFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-4-24(25(2)19-21-12-13-21,22-14-16-23(26-3)17-15-22)18-8-11-20-9-6-5-7-10-20/h5-11,14-17,21H,4,12-13,18-19H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine?
N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine has a molecular weight of 349.52 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(4-methoxyphenyl)-N-methyl-6-phenylhex-5-en-3-amine is sourced from PubChem (CID 150436491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).