N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine

C16H27NO — CID 63061678

IUPACN-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCOc1c(C)cc(CNCC(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-6-7-18-16-13(4)8-15(9-14(16)5)11-17-10-12(2)3/h8-9,12,17H,6-7,10-11H2,1-5H3
InChIKeyDVOPUVZZUPVDPO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds7

About N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63061678) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63061678
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCOc1c(C)cc(CNCC(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-6-7-18-16-13(4)8-15(9-14(16)5)11-17-10-12(2)3/h8-9,12,17H,6-7,10-11H2,1-5H3
InChIKeyDVOPUVZZUPVDPO-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-methoxybutoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 104647029
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63499791
4-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]butanenitrile
CID 63061854
5-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63061507
N-[[4-(methoxymethoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 65365718
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449704
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745
2-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63061683
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(3,5-dibromo-4-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107743874

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine (CID 63061678) is N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine is CCCOc1c(C)cc(CNCC(C)C)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is DVOPUVZZUPVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-7-18-16-13(4)8-15(9-14(16)5)11-17-10-12(2)3/h8-9,12,17H,6-7,10-11H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.84, 7 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]-2-methylpropan-1-amine is sourced from PubChem (CID 63061678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).