1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

C17H29NO — CID 63414142

IUPAC1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-6-13-18-16(11-12-17(2,3)4)14-7-9-15(19-5)10-8-14/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyGYMZFVCWXXWXHS-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.56
Rot. Bonds7

About 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 63414142) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID63414142
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-6-13-18-16(11-12-17(2,3)4)14-7-9-15(19-5)10-8-14/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyGYMZFVCWXXWXHS-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019
4-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylaniline
CID 103031134

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 63414142) is 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is GYMZFVCWXXWXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-13-18-16(11-12-17(2,3)4)14-7-9-15(19-5)10-8-14/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 63414142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).