1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine

C19H33NO — CID 115845424

IUPAC1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CC(C)CCC
InChIInChI=1S/C19H33NO/c1-5-7-16(3)15-18(20-14-6-2)11-8-17-9-12-19(21-4)13-10-17/h9-10,12-13,16,18,20H,5-8,11,14-15H2,1-4H3
InChIKeyUCDRCXKMSYGOOB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.82
Rot. Bonds11

About 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine

1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine (PubChem CID 115845424) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
PubChem CID115845424
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
SMILESCCCNC(CCc1ccc(OC)cc1)CC(C)CCC
InChIInChI=1S/C19H33NO/c1-5-7-16(3)15-18(20-14-6-2)11-8-17-9-12-19(21-4)13-10-17/h9-10,12-13,16,18,20H,5-8,11,14-15H2,1-4H3
InChIKeyUCDRCXKMSYGOOB-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1-(2-methylpropylsulfanyl)-N-propylbutan-2-amine
CID 65446675
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-propylhexan-3-amine
CID 79959286
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
CID 43106121
4-methoxy-1-(4-methoxyphenyl)-N-propylpentan-3-amine
CID 79615993
[1-(4-methoxyphenyl)-5-methylheptan-3-yl]hydrazine
CID 105298442
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
1-(6-methoxynaphthalen-2-yl)-N-propylpentan-2-amine
CID 22007044
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine (CID 115845424) is 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine is CCCNC(CCc1ccc(OC)cc1)CC(C)CCC.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine?
The InChIKey is UCDRCXKMSYGOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-16(3)15-18(20-14-6-2)11-8-17-9-12-19(21-4)13-10-17/h9-10,12-13,16,18,20H,5-8,11,14-15H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine?
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine has a molecular weight of 291.48 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine is sourced from PubChem (CID 115845424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).