N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine

C18H25NO — CID 61468865

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1ccc2cc(OC)ccc2c1)C(C)C
InChIInChI=1S/C18H25NO/c1-5-18(13(2)3)19-12-14-6-7-16-11-17(20-4)9-8-15(16)10-14/h6-11,13,18-19H,5,12H2,1-4H3
InChIKeyHRZRGKFHNUEQOY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.37
Rot. Bonds6

About N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine (PubChem CID 61468865) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
PubChem CID61468865
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1ccc2cc(OC)ccc2c1)C(C)C
InChIInChI=1S/C18H25NO/c1-5-18(13(2)3)19-12-14-6-7-16-11-17(20-4)9-8-15(16)10-14/h6-11,13,18-19H,5,12H2,1-4H3
InChIKeyHRZRGKFHNUEQOY-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
CID 28723100
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944857
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
2-methoxy-4-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 106787238
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine (CID 61468865) is N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine is CCC(NCc1ccc2cc(OC)ccc2c1)C(C)C.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine?
The InChIKey is HRZRGKFHNUEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-18(13(2)3)19-12-14-6-7-16-11-17(20-4)9-8-15(16)10-14/h6-11,13,18-19H,5,12H2,1-4H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine has a molecular weight of 271.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 61468865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).