N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine

C17H21NO — CID 103991561

IUPACN-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
SMILESCOC1(CNCc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C17H21NO/c1-19-17(9-4-10-17)13-18-12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11,18H,4,9-10,12-13H2,1H3
InChIKeyDEXBNYNHPNHSER-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.50
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine

N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine (PubChem CID 103991561) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
PubChem CID103991561
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
SMILESCOC1(CNCc2ccc3ccccc3c2)CCC1
InChIInChI=1S/C17H21NO/c1-19-17(9-4-10-17)13-18-12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11,18H,4,9-10,12-13H2,1H3
InChIKeyDEXBNYNHPNHSER-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
CID 103558104
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
1-ethyl-N-(naphthalen-2-ylmethyl)cyclobutan-1-amine
CID 113488696
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine (CID 103991561) is N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine is COC1(CNCc2ccc3ccccc3c2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine?
The InChIKey is DEXBNYNHPNHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-19-17(9-4-10-17)13-18-12-14-7-8-15-5-2-3-6-16(15)11-14/h2-3,5-8,11,18H,4,9-10,12-13H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine?
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.50, 5 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-naphthalen-2-ylmethanamine is sourced from PubChem (CID 103991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).