(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine

C14H23NO — CID 171231533

IUPAC(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccccc1OC(C)C
InChIInChI=1S/C14H23NO/c1-4-5-9-13(15)12-8-6-7-10-14(12)16-11(2)3/h6-8,10-11,13H,4-5,9,15H2,1-3H3/t13-/m0/s1
InChIKeyQSXKQMTXVRFVCI-ZDUSSCGKSA-N
MW221.34 g/mol
LogP3.66
Rot. Bonds6

About (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine

(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 171231533) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID171231533
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1ccccc1OC(C)C
InChIInChI=1S/C14H23NO/c1-4-5-9-13(15)12-8-6-7-10-14(12)16-11(2)3/h6-8,10-11,13H,4-5,9,15H2,1-3H3/t13-/m0/s1
InChIKeyQSXKQMTXVRFVCI-ZDUSSCGKSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105170945
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine (CID 171231533) is (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine is CCCC[C@H](N)c1ccccc1OC(C)C.
What is the InChIKey of (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is QSXKQMTXVRFVCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-9-13(15)12-8-6-7-10-14(12)16-11(2)3/h6-8,10-11,13H,4-5,9,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine?
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 171231533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).