N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine

C19H23NO — CID 103991761

IUPACN-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
SMILESCOC1(CNCc2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C19H23NO/c1-21-19(12-5-13-19)15-20-14-16-8-10-18(11-9-16)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-15H2,1H3
InChIKeyHADLSNVFUMEUNX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.01
Rot. Bonds6

About N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine

N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine (PubChem CID 103991761) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
PubChem CID103991761
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
SMILESCOC1(CNCc2ccc(-c3ccccc3)cc2)CCC1
InChIInChI=1S/C19H23NO/c1-21-19(12-5-13-19)15-20-14-16-8-10-18(11-9-16)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-15H2,1H3
InChIKeyHADLSNVFUMEUNX-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine (CID 103991761) is N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine is COC1(CNCc2ccc(-c3ccccc3)cc2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine?
The InChIKey is HADLSNVFUMEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-19(12-5-13-19)15-20-14-16-8-10-18(11-9-16)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-15H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine?
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 103991761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).