N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine

C15H23NO — CID 103560755

IUPACN-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(C(C)C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11(2)13-8-14(9-13)16-10-12-4-6-15(17-3)7-5-12/h4-7,11,13-14,16H,8-10H2,1-3H3
InChIKeyYPIXNVVNRIQVOC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine

N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103560755) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103560755
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(C(C)C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11(2)13-8-14(9-13)16-10-12-4-6-15(17-3)7-5-12/h4-7,11,13-14,16H,8-10H2,1-3H3
InChIKeyYPIXNVVNRIQVOC-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
(2R,6R)-N-[(4-methoxyphenyl)methyl]-2,6-di(propan-2-yl)oxan-4-amine
CID 125432814
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103560755) is N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine is COc1ccc(CNC2CC(C(C)C)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is YPIXNVVNRIQVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)13-8-14(9-13)16-10-12-4-6-15(17-3)7-5-12/h4-7,11,13-14,16H,8-10H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103560755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).