4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine

C14H23N — CID 62505527

IUPAC4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
SMILESCc1ccc(CC(CN)CC(C)C)cc1
InChIInChI=1S/C14H23N/c1-11(2)8-14(10-15)9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyDVCRJABVTLLHNK-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine

4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine (PubChem CID 62505527) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
PubChem CID62505527
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
SMILESCc1ccc(CC(CN)CC(C)C)cc1
InChIInChI=1S/C14H23N/c1-11(2)8-14(10-15)9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyDVCRJABVTLLHNK-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
CID 55195254
(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
CID 124706723
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
CID 117241951
2-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-1-amine
CID 62505363
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine (CID 62505527) is 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine is Cc1ccc(CC(CN)CC(C)C)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
The InChIKey is DVCRJABVTLLHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)8-14(10-15)9-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10,15H2,1-3H3.
What are the key properties of 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine?
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 62505527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).