N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine

C16H25NO — CID 103980206

IUPACN-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine
SMILESCOC1(CNC(C)CCc2ccccc2)CCC1
InChIInChI=1S/C16H25NO/c1-14(9-10-15-7-4-3-5-8-15)17-13-16(18-2)11-6-12-16/h3-5,7-8,14,17H,6,9-13H2,1-2H3
InChIKeyPCNWIFAMJPOJFA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.17
Rot. Bonds7

About N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine

N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine (PubChem CID 103980206) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine
PubChem CID103980206
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine
SMILESCOC1(CNC(C)CCc2ccccc2)CCC1
InChIInChI=1S/C16H25NO/c1-14(9-10-15-7-4-3-5-8-15)17-13-16(18-2)11-6-12-16/h3-5,7-8,14,17H,6,9-13H2,1-2H3
InChIKeyPCNWIFAMJPOJFA-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
2-[1-[(1-methoxycyclobutyl)methylamino]ethyl]naphthalen-1-ol
CID 104584157
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
CID 43107601
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine (CID 103980206) is N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine is COC1(CNC(C)CCc2ccccc2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is PCNWIFAMJPOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(9-10-15-7-4-3-5-8-15)17-13-16(18-2)11-6-12-16/h3-5,7-8,14,17H,6,9-13H2,1-2H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine?
N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 103980206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).