1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine

C14H20ClNO — CID 113391539

IUPAC1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1)CC1CCCCO1
InChIInChI=1S/C14H20ClNO/c15-12-6-4-11(5-7-12)9-13(16)10-14-3-1-2-8-17-14/h4-7,13-14H,1-3,8-10,16H2
InChIKeyNTFZAKDQHMXMTO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine

1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine (PubChem CID 113391539) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
PubChem CID113391539
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1)CC1CCCCO1
InChIInChI=1S/C14H20ClNO/c15-12-6-4-11(5-7-12)9-13(16)10-14-3-1-2-8-17-14/h4-7,13-14H,1-3,8-10,16H2
InChIKeyNTFZAKDQHMXMTO-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 62601063
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017
2-[3-(bromomethyl)-4-(4-chlorophenyl)butyl]oxolane
CID 66042689
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
1-(4-chlorophenyl)-3-cyclohexylsulfanylpropan-2-amine
CID 65139954

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine (CID 113391539) is 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine is NC(Cc1ccc(Cl)cc1)CC1CCCCO1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine?
The InChIKey is NTFZAKDQHMXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-12-6-4-11(5-7-12)9-13(16)10-14-3-1-2-8-17-14/h4-7,13-14H,1-3,8-10,16H2.
What are the key properties of 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine?
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine is sourced from PubChem (CID 113391539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).