4-(3-propan-2-ylphenoxy)pentan-1-amine

C14H23NO — CID 62453134

IUPAC4-(3-propan-2-ylphenoxy)pentan-1-amine
SMILESCC(CCCN)Oc1cccc(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(2)13-7-4-8-14(10-13)16-12(3)6-5-9-15/h4,7-8,10-12H,5-6,9,15H2,1-3H3
InChIKeyZZAGCMATOLFAFN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds6

About 4-(3-propan-2-ylphenoxy)pentan-1-amine

4-(3-propan-2-ylphenoxy)pentan-1-amine (PubChem CID 62453134) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(3-propan-2-ylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(3-propan-2-ylphenoxy)pentan-1-amine
PubChem CID62453134
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(3-propan-2-ylphenoxy)pentan-1-amine
SMILESCC(CCCN)Oc1cccc(C(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(2)13-7-4-8-14(10-13)16-12(3)6-5-9-15/h4,7-8,10-12H,5-6,9,15H2,1-3H3
InChIKeyZZAGCMATOLFAFN-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-yloxypentan-1-amine
CID 55076664
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
CID 130223219
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylphenoxy)pentan-1-amine?
The IUPAC name of 4-(3-propan-2-ylphenoxy)pentan-1-amine (CID 62453134) is 4-(3-propan-2-ylphenoxy)pentan-1-amine.
What is the SMILES notation for 4-(3-propan-2-ylphenoxy)pentan-1-amine?
The canonical SMILES for 4-(3-propan-2-ylphenoxy)pentan-1-amine is CC(CCCN)Oc1cccc(C(C)C)c1.
What is the InChIKey of 4-(3-propan-2-ylphenoxy)pentan-1-amine?
The InChIKey is ZZAGCMATOLFAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-7-4-8-14(10-13)16-12(3)6-5-9-15/h4,7-8,10-12H,5-6,9,15H2,1-3H3.
What are the key properties of 4-(3-propan-2-ylphenoxy)pentan-1-amine?
4-(3-propan-2-ylphenoxy)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylphenoxy)pentan-1-amine is sourced from PubChem (CID 62453134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).