2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine

C17H29NO — CID 79308290

IUPAC2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-12-18-17(7-2)14(5)15-8-10-16(11-9-15)19-13(3)4/h8-11,13-14,17-18H,6-7,12H2,1-5H3
InChIKeyPMLXKGDPBOAAPN-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds8

About 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine

2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine (PubChem CID 79308290) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
PubChem CID79308290
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-12-18-17(7-2)14(5)15-8-10-16(11-9-15)19-13(3)4/h8-11,13-14,17-18H,6-7,12H2,1-5H3
InChIKeyPMLXKGDPBOAAPN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497092
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
N,N-dimethyl-4-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63560932
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene
CID 83051049
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82314177
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine (CID 79308290) is 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine?
The InChIKey is PMLXKGDPBOAAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-12-18-17(7-2)14(5)15-8-10-16(11-9-15)19-13(3)4/h8-11,13-14,17-18H,6-7,12H2,1-5H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine?
2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine is sourced from PubChem (CID 79308290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).