N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine

C14H23N — CID 63888318

IUPACN-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23N/c1-4-9-15-11-14-7-5-13(6-8-14)10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyGIWWSJLYXIBLOJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.38
Rot. Bonds6

About N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine

N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine (PubChem CID 63888318) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
PubChem CID63888318
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23N/c1-4-9-15-11-14-7-5-13(6-8-14)10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyGIWWSJLYXIBLOJ-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63887724
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
N-[[4-(chloromethyl)phenyl]methyl]propan-1-amine
CID 107232944
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115406032
N-[[2-(2-methylpropyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756597
N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999
N-[2-[2-[4-(2-methylpropyl)phenyl]ethoxy]ethyl]propan-1-amine
CID 65303301

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine (CID 63888318) is N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(CC(C)C)cc1.
What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The InChIKey is GIWWSJLYXIBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-9-15-11-14-7-5-13(6-8-14)10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine?
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63888318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).