N-(1-phenylethoxy)hexan-2-amine

C14H23NO — CID 134926239

IUPACN-(1-phenylethoxy)hexan-2-amine
SMILESCCCCC(C)NOC(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-4-5-9-12(2)15-16-13(3)14-10-7-6-8-11-14/h6-8,10-13,15H,4-5,9H2,1-3H3
InChIKeyJZAPKQYYACUBLX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.85
Rot. Bonds7

About N-(1-phenylethoxy)hexan-2-amine

N-(1-phenylethoxy)hexan-2-amine (PubChem CID 134926239) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(1-phenylethoxy)hexan-2-amine.

Molecular Properties

Compound NameN-(1-phenylethoxy)hexan-2-amine
PubChem CID134926239
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(1-phenylethoxy)hexan-2-amine
SMILESCCCCC(C)NOC(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-4-5-9-12(2)15-16-13(3)14-10-7-6-8-11-14/h6-8,10-13,15H,4-5,9H2,1-3H3
InChIKeyJZAPKQYYACUBLX-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Phenylpropanolamine
CID 10297
Cathine
CID 441457
Phenylethanolamine
CID 1000
Phenylpropanolamine Hydrochloride
CID 62943
(-)-Norpseudoephedrine
CID 162265
(1S,2R)-(+)-Norephedrine
CID 4786
Phenylpropanolamine hydrochloride, (+)-
CID 6433169
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
Norpseudoephedrine, hydrochloride
CID 92920
(R)-(-)-2-Amino-1-phenylethanol
CID 6951165
(1S)-2-amino-1-phenylethan-1-ol
CID 643217
2-Amino-1-phenylbutan-1-ol
CID 22187

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethoxy)hexan-2-amine?
The IUPAC name of N-(1-phenylethoxy)hexan-2-amine (CID 134926239) is N-(1-phenylethoxy)hexan-2-amine.
What is the SMILES notation for N-(1-phenylethoxy)hexan-2-amine?
The canonical SMILES for N-(1-phenylethoxy)hexan-2-amine is CCCCC(C)NOC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethoxy)hexan-2-amine?
The InChIKey is JZAPKQYYACUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-9-12(2)15-16-13(3)14-10-7-6-8-11-14/h6-8,10-13,15H,4-5,9H2,1-3H3.
What are the key properties of N-(1-phenylethoxy)hexan-2-amine?
N-(1-phenylethoxy)hexan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethoxy)hexan-2-amine is sourced from PubChem (CID 134926239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).