N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine

C19H29NO — CID 5147026

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-16(20-15-14-17-6-4-3-5-7-17)8-9-18-10-12-19(21-2)13-11-18/h6,10-13,16,20H,3-5,7-9,14-15H2,1-2H3
InChIKeyINBCHUUDNAQZCA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 5147026) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
PubChem CID5147026
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-16(20-15-14-17-6-4-3-5-7-17)8-9-18-10-12-19(21-2)13-11-18/h6,10-13,16,20H,3-5,7-9,14-15H2,1-2H3
InChIKeyINBCHUUDNAQZCA-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43110628
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856556
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115704085

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine (CID 5147026) is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is INBCHUUDNAQZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-16(20-15-14-17-6-4-3-5-7-17)8-9-18-10-12-19(21-2)13-11-18/h6,10-13,16,20H,3-5,7-9,14-15H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 5147026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).