N-[(4-methylphenyl)methyl]hexan-3-amine

C14H23N — CID 62117408

IUPACN-[(4-methylphenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-4-6-14(5-2)15-11-13-9-7-12(3)8-10-13/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyISTUCIJFJLHXRW-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.66
Rot. Bonds6

About N-[(4-methylphenyl)methyl]hexan-3-amine

N-[(4-methylphenyl)methyl]hexan-3-amine (PubChem CID 62117408) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]hexan-3-amine
PubChem CID62117408
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-[(4-methylphenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-4-6-14(5-2)15-11-13-9-7-12(3)8-10-13/h7-10,14-15H,4-6,11H2,1-3H3
InChIKeyISTUCIJFJLHXRW-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
CID 62117418
N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
CID 28550265
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
N-(pyridin-4-ylmethyl)heptan-3-amine
CID 63947303
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]hexan-3-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]hexan-3-amine (CID 62117408) is N-[(4-methylphenyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]hexan-3-amine is CCCC(CC)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]hexan-3-amine?
The InChIKey is ISTUCIJFJLHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-6-14(5-2)15-11-13-9-7-12(3)8-10-13/h7-10,14-15H,4-6,11H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]hexan-3-amine?
N-[(4-methylphenyl)methyl]hexan-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]hexan-3-amine is sourced from PubChem (CID 62117408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).