N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine

C15H25NO — CID 43276803

IUPACN-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1c(C)cc(CNC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-6-7-17-15-12(4)8-14(9-13(15)5)10-16-11(2)3/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyGNPFEXCFBCVPGG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.59
Rot. Bonds6

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

N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine (PubChem CID 43276803) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
PubChem CID43276803
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1c(C)cc(CNC(C)C)cc1C
InChIInChI=1S/C15H25NO/c1-6-7-17-15-12(4)8-14(9-13(15)5)10-16-11(2)3/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyGNPFEXCFBCVPGG-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-but-3-ynoxy-3,5-dimethylphenyl)methyl]propan-2-amine
CID 55028257
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63061678
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60880054
2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60880056
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
1-(3,5-dimethyl-4-propoxyphenyl)ethanol
CID 91657661
N-[[5-bromo-3-methyl-2-(2-propoxyethoxy)phenyl]methyl]propan-2-amine
CID 106450662
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
CID 29223251

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine (CID 43276803) is N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine is CCCOc1c(C)cc(CNC(C)C)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine?
The InChIKey is GNPFEXCFBCVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-7-17-15-12(4)8-14(9-13(15)5)10-16-11(2)3/h8-9,11,16H,6-7,10H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine?
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.59, 6 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-propoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43276803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).