N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine

C18H29NO — CID 2846295

IUPACN-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-15(19-14-17-6-4-3-5-7-17)8-9-16-10-12-18(20-2)13-11-16/h10-13,15,17,19H,3-9,14H2,1-2H3
InChIKeyIIQMIOKGYICGNZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds7

About N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine

N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 2846295) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine
PubChem CID2846295
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-15(19-14-17-6-4-3-5-7-17)8-9-16-10-12-18(20-2)13-11-16/h10-13,15,17,19H,3-9,14H2,1-2H3
InChIKeyIIQMIOKGYICGNZ-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine (CID 2846295) is N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine is COc1ccc(CCC(C)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is IIQMIOKGYICGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(19-14-17-6-4-3-5-7-17)8-9-16-10-12-18(20-2)13-11-16/h10-13,15,17,19H,3-9,14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine?
N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 2846295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).