(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine

C18H23NO — CID 115853243

IUPAC(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-9-20-17-7-5-15(6-8-17)18(19)16-11-13(2)10-14(3)12-16/h5-8,10-12,18H,4,9,19H2,1-3H3
InChIKeyLLNVKAPRWGODKP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.14
Rot. Bonds5

About (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine

(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine (PubChem CID 115853243) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
PubChem CID115853243
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-9-20-17-7-5-15(6-8-17)18(19)16-11-13(2)10-14(3)12-16/h5-8,10-12,18H,4,9,19H2,1-3H3
InChIKeyLLNVKAPRWGODKP-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine (CID 115853243) is (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine?
The InChIKey is LLNVKAPRWGODKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-9-20-17-7-5-15(6-8-17)18(19)16-11-13(2)10-14(3)12-16/h5-8,10-12,18H,4,9,19H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine?
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).