N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine

C20H21N — CID 43780291

IUPACN-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
SMILESCc1cc(C)c(CNc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C20H21N/c1-14-10-16(3)19(11-15(14)2)13-21-20-9-8-17-6-4-5-7-18(17)12-20/h4-12,21H,13H2,1-3H3
InChIKeyKRSHAMCAXMGBPY-UHFFFAOYSA-N
MW275.39 g/mol
LogP5.38
Rot. Bonds3

About N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine

N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine (PubChem CID 43780291) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
PubChem CID43780291
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
SMILESCc1cc(C)c(CNc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C20H21N/c1-14-10-16(3)19(11-15(14)2)13-21-20-9-8-17-6-4-5-7-18(17)12-20/h4-12,21H,13H2,1-3H3
InChIKeyKRSHAMCAXMGBPY-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
4-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43760581
3-iodo-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43784979
4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]methanol
CID 115777910
2-fluoro-4-[(2,4,5-trimethylphenyl)methylamino]phenol
CID 64795397
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
1,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115584985
5-methyl-4-[(naphthalen-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103238475

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine (CID 43780291) is N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine is Cc1cc(C)c(CNc2ccc3ccccc3c2)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine?
The InChIKey is KRSHAMCAXMGBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-14-10-16(3)19(11-15(14)2)13-21-20-9-8-17-6-4-5-7-18(17)12-20/h4-12,21H,13H2,1-3H3.
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine?
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine has a molecular weight of 275.39 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 43780291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).