3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine

C18H24N2O — CID 63706552

IUPAC3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cc2ccccc2cc1N)CC1CCCOC1
InChIInChI=1S/C18H24N2O/c1-20(11-14-5-4-8-21-13-14)12-17-9-15-6-2-3-7-16(15)10-18(17)19/h2-3,6-7,9-10,14H,4-5,8,11-13,19H2,1H3
InChIKeyCQRSIHJLKSQEFP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.28
Rot. Bonds4

About 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine

3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine (PubChem CID 63706552) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
PubChem CID63706552
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cc2ccccc2cc1N)CC1CCCOC1
InChIInChI=1S/C18H24N2O/c1-20(11-14-5-4-8-21-13-14)12-17-9-15-6-2-3-7-16(15)10-18(17)19/h2-3,6-7,9-10,14H,4-5,8,11-13,19H2,1H3
InChIKeyCQRSIHJLKSQEFP-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
CID 63657165
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351335
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
CID 81131398
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55225871
3-fluoro-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63713588

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine (CID 63706552) is 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine is CN(Cc1cc2ccccc2cc1N)CC1CCCOC1.
What is the InChIKey of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine?
The InChIKey is CQRSIHJLKSQEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(11-14-5-4-8-21-13-14)12-17-9-15-6-2-3-7-16(15)10-18(17)19/h2-3,6-7,9-10,14H,4-5,8,11-13,19H2,1H3.
What are the key properties of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine?
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine is sourced from PubChem (CID 63706552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).