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

C17H29NO — CID 166564774

IUPAC4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine
SMILESCC(C)CCCNCc1ccc(COC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)6-5-11-18-12-16-7-9-17(10-8-16)13-19-15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3
InChIKeyWSBKQRLHTKDPFT-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds9

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

4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine (PubChem CID 166564774) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine
PubChem CID166564774
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine
SMILESCC(C)CCCNCc1ccc(COC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)6-5-11-18-12-16-7-9-17(10-8-16)13-19-15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3
InChIKeyWSBKQRLHTKDPFT-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(propan-2-yloxymethyl)phenyl]methyl]butan-1-amine
CID 156653083
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
5-methyl-N-[(4-methylsulfanylphenyl)methyl]hexan-1-amine
CID 113287353
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869
2-methyl-1-(3-methylbutyl)-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110977822
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
3-[(4-methylpentylamino)methyl]phenol
CID 60744251
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978
4-[(3-propan-2-yloxypropylamino)methyl]benzoic acid
CID 17207100

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine (CID 166564774) is 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine is CC(C)CCCNCc1ccc(COC(C)C)cc1.
What is the InChIKey of 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine?
The InChIKey is WSBKQRLHTKDPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)6-5-11-18-12-16-7-9-17(10-8-16)13-19-15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3.
What are the key properties of 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine?
4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine is sourced from PubChem (CID 166564774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).