N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine

C17H29N — CID 43080523

IUPACN-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
SMILESCc1ccc(CNC(C)CCCC(C)C)c(C)c1
InChIInChI=1S/C17H29N/c1-13(2)7-6-8-16(5)18-12-17-10-9-14(3)11-15(17)4/h9-11,13,16,18H,6-8,12H2,1-5H3
InChIKeyGBNQMWNQRJNRDX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.61
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine

N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine (PubChem CID 43080523) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
PubChem CID43080523
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
SMILESCc1ccc(CNC(C)CCCC(C)C)c(C)c1
InChIInChI=1S/C17H29N/c1-13(2)7-6-8-16(5)18-12-17-10-9-14(3)11-15(17)4/h9-11,13,16,18H,6-8,12H2,1-5H3
InChIKeyGBNQMWNQRJNRDX-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946054
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953665
3-[(2,4-dimethylphenyl)methylamino]butanamide
CID 115676436
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
CID 113237519
4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725
3-chloro-4-[(6-methylheptan-2-ylamino)methyl]benzonitrile
CID 102664243
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine (CID 43080523) is N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine is Cc1ccc(CNC(C)CCCC(C)C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine?
The InChIKey is GBNQMWNQRJNRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)7-6-8-16(5)18-12-17-10-9-14(3)11-15(17)4/h9-11,13,16,18H,6-8,12H2,1-5H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine?
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43080523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).