1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine

C19H31NO — CID 63951958

IUPAC1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1cccc(C)c1
InChIInChI=1S/C19H31NO/c1-3-12-20-18(10-11-19-9-4-5-13-21-19)15-17-8-6-7-16(2)14-17/h6-8,14,18-20H,3-5,9-13,15H2,1-2H3
InChIKeyGHOJTAMCVZDBCK-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.26
Rot. Bonds8

About 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine

1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine (PubChem CID 63951958) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
PubChem CID63951958
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1cccc(C)c1
InChIInChI=1S/C19H31NO/c1-3-12-20-18(10-11-19-9-4-5-13-21-19)15-17-8-6-7-16(2)14-17/h6-8,14,18-20H,3-5,9-13,15H2,1-2H3
InChIKeyGHOJTAMCVZDBCK-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105030163
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105019959
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine (CID 63951958) is 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCCO1)Cc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The InChIKey is GHOJTAMCVZDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-12-20-18(10-11-19-9-4-5-13-21-19)15-17-8-6-7-16(2)14-17/h6-8,14,18-20H,3-5,9-13,15H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63951958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).