N-propyl-4-(4-propylphenoxy)pentan-2-amine

C17H29NO — CID 64719580

IUPACN-propyl-4-(4-propylphenoxy)pentan-2-amine
SMILESCCCNC(C)CC(C)Oc1ccc(CCC)cc1
InChIInChI=1S/C17H29NO/c1-5-7-16-8-10-17(11-9-16)19-15(4)13-14(3)18-12-6-2/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyABTGONUGWFKFNQ-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.18
Rot. Bonds9

About N-propyl-4-(4-propylphenoxy)pentan-2-amine

N-propyl-4-(4-propylphenoxy)pentan-2-amine (PubChem CID 64719580) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-propyl-4-(4-propylphenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-propyl-4-(4-propylphenoxy)pentan-2-amine
PubChem CID64719580
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-propyl-4-(4-propylphenoxy)pentan-2-amine
SMILESCCCNC(C)CC(C)Oc1ccc(CCC)cc1
InChIInChI=1S/C17H29NO/c1-5-7-16-8-10-17(11-9-16)19-15(4)13-14(3)18-12-6-2/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyABTGONUGWFKFNQ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
N-propyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-amine
CID 64718686
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
4-(4-but-3-en-2-yloxyphenyl)-N-propylbutan-2-amine
CID 62389850
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
CID 64707887
4-(2-ethylphenoxy)-N-propylpentan-2-amine
CID 64720460
4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
CID 64708098
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(4-propylphenoxy)pentan-2-amine?
The IUPAC name of N-propyl-4-(4-propylphenoxy)pentan-2-amine (CID 64719580) is N-propyl-4-(4-propylphenoxy)pentan-2-amine.
What is the SMILES notation for N-propyl-4-(4-propylphenoxy)pentan-2-amine?
The canonical SMILES for N-propyl-4-(4-propylphenoxy)pentan-2-amine is CCCNC(C)CC(C)Oc1ccc(CCC)cc1.
What is the InChIKey of N-propyl-4-(4-propylphenoxy)pentan-2-amine?
The InChIKey is ABTGONUGWFKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-16-8-10-17(11-9-16)19-15(4)13-14(3)18-12-6-2/h8-11,14-15,18H,5-7,12-13H2,1-4H3.
What are the key properties of N-propyl-4-(4-propylphenoxy)pentan-2-amine?
N-propyl-4-(4-propylphenoxy)pentan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(4-propylphenoxy)pentan-2-amine is sourced from PubChem (CID 64719580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).