N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine

C20H21NO — CID 54795940

IUPACN-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
SMILESCc1ccc(OC(C)CNc2cccc3ccccc23)cc1
InChIInChI=1S/C20H21NO/c1-15-10-12-18(13-11-15)22-16(2)14-21-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,16,21H,14H2,1-2H3
InChIKeyZACQWHLXJUXVGV-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.03
Rot. Bonds5

About N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine

N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine (PubChem CID 54795940) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
PubChem CID54795940
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
SMILESCc1ccc(OC(C)CNc2cccc3ccccc23)cc1
InChIInChI=1S/C20H21NO/c1-15-10-12-18(13-11-15)22-16(2)14-21-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,16,21H,14H2,1-2H3
InChIKeyZACQWHLXJUXVGV-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-[2-(4-methylphenoxy)propyl]pyridin-2-amine
CID 133483616
N-(2-phenoxybutyl)naphthalen-1-amine
CID 46736265
N-(2-phenoxypropyl)-2-propan-2-ylaniline
CID 54800400
3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 3260933
2-methyl-3-(naphthalen-1-ylamino)propanenitrile
CID 43245410
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
2-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54801773
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine (CID 54795940) is N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine is Cc1ccc(OC(C)CNc2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine?
The InChIKey is ZACQWHLXJUXVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-15-10-12-18(13-11-15)22-16(2)14-21-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,16,21H,14H2,1-2H3.
What are the key properties of N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine?
N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine has a molecular weight of 291.39 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine is sourced from PubChem (CID 54795940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).