N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine

C17H29NO — CID 107890682

IUPACN-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OC(C)CCC)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-8-15(5)19-17-13(3)10-16(11-14(17)4)12-18-9-7-2/h10-11,15,18H,6-9,12H2,1-5H3
InChIKeyUCTNJOVZYCTOQX-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.37
Rot. Bonds8

About N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine

N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 107890682) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID107890682
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)c(OC(C)CCC)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-8-15(5)19-17-13(3)10-16(11-14(17)4)12-18-9-7-2/h10-11,15,18H,6-9,12H2,1-5H3
InChIKeyUCTNJOVZYCTOQX-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
5-(chloromethyl)-1,3-dimethyl-2-pentan-2-yloxybenzene
CID 107896120
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013330
N-[(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107890952
3-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311867
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine (CID 107890682) is N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine is CCCNCc1cc(C)c(OC(C)CCC)c(C)c1.
What is the InChIKey of N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is UCTNJOVZYCTOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-15(5)19-17-13(3)10-16(11-14(17)4)12-18-9-7-2/h10-11,15,18H,6-9,12H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107890682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).