[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine

C16H19NO — CID 116929036

IUPAC[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
SMILESCOc1ccc2cc(CC3(CN)CC3)ccc2c1
InChIInChI=1S/C16H19NO/c1-18-15-5-4-13-8-12(2-3-14(13)9-15)10-16(11-17)6-7-16/h2-5,8-9H,6-7,10-11,17H2,1H3
InChIKeyQPNCXHCKNGKFNA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.13
Rot. Bonds4

About [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine

[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine (PubChem CID 116929036) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
PubChem CID116929036
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
SMILESCOc1ccc2cc(CC3(CN)CC3)ccc2c1
InChIInChI=1S/C16H19NO/c1-18-15-5-4-13-8-12(2-3-14(13)9-15)10-16(11-17)6-7-16/h2-5,8-9H,6-7,10-11,17H2,1H3
InChIKeyQPNCXHCKNGKFNA-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971
[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65389985
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[1-(1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 83819398
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
[4-[(2-bromo-5-methoxyphenyl)methyl]oxan-4-yl]methanamine
CID 65326731
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine (CID 116929036) is [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine is COc1ccc2cc(CC3(CN)CC3)ccc2c1.
What is the InChIKey of [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine?
The InChIKey is QPNCXHCKNGKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-15-5-4-13-8-12(2-3-14(13)9-15)10-16(11-17)6-7-16/h2-5,8-9H,6-7,10-11,17H2,1H3.
What are the key properties of [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine?
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 116929036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).