N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine

C17H27NO — CID 43755987

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
SMILESCOc1ccc(CCC(C)NC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-16-6-4-3-5-7-16)8-9-15-10-12-17(19-2)13-11-15/h10-14,16,18H,3-9H2,1-2H3
InChIKeyGHWZHWOQKAAQRK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine

N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine (PubChem CID 43755987) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
PubChem CID43755987
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
SMILESCOc1ccc(CCC(C)NC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-16-6-4-3-5-7-16)8-9-15-10-12-17(19-2)13-11-15/h10-14,16,18H,3-9H2,1-2H3
InChIKeyGHWZHWOQKAAQRK-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792549
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 1378447
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine (CID 43755987) is N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine is COc1ccc(CCC(C)NC2CCCCC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine?
The InChIKey is GHWZHWOQKAAQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(18-16-6-4-3-5-7-16)8-9-15-10-12-17(19-2)13-11-15/h10-14,16,18H,3-9H2,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine?
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine is sourced from PubChem (CID 43755987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).