N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine

C16H24ClNO — CID 62906214

IUPACN-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C16H24ClNO/c1-2-9-18-16(14-7-10-19-11-8-14)12-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyZMDUKZXTXAWICG-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 62906214) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID62906214
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C16H24ClNO/c1-2-9-18-16(14-7-10-19-11-8-14)12-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyZMDUKZXTXAWICG-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 79748470
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (CID 62906214) is N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is ZMDUKZXTXAWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-9-18-16(14-7-10-19-11-8-14)12-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62906214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).