4-(4-chlorophenyl)-N-propyloxan-4-amine

C14H20ClNO — CID 56783645

IUPAC4-(4-chlorophenyl)-N-propyloxan-4-amine
SMILESCCCNC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C14H20ClNO/c1-2-9-16-14(7-10-17-11-8-14)12-3-5-13(15)6-4-12/h3-6,16H,2,7-11H2,1H3
InChIKeyWQEGMCLFVVHVCJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.35
Rot. Bonds4

About 4-(4-chlorophenyl)-N-propyloxan-4-amine

4-(4-chlorophenyl)-N-propyloxan-4-amine (PubChem CID 56783645) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-propyloxan-4-amine
PubChem CID56783645
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(4-chlorophenyl)-N-propyloxan-4-amine
SMILESCCCNC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C14H20ClNO/c1-2-9-16-14(7-10-17-11-8-14)12-3-5-13(15)6-4-12/h3-6,16H,2,7-11H2,1H3
InChIKeyWQEGMCLFVVHVCJ-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-Chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
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N-(4-chlorobenzyl)-N-(3-ethoxypropyl)amine
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US11365191, Example 130
CID 153338604
US11214540, Example 48
CID 155139081
3-(4-Chlorophenyl)morpholine hydrochloride
CID 17749821
3-(3-Chlorophenyl)morpholine HCl
CID 24271589
4-(4-Chlorophenyl)oxan-4-amine
CID 24273947
[1-(4-Chlorophenyl)-2-methoxyethyl](methyl)amine
CID 61553177
4-[1-(4-Chlorophenyl)-2-ethoxypropan-2-yl]piperidine;hydrochloride
CID 12280851
4-(4-chlorophenyl)-N-(2-methoxyethyl)oxan-4-amine
CID 53593528
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-cyclopentylacetamide
CID 53603174
4-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 72020766

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-propyloxan-4-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-propyloxan-4-amine (CID 56783645) is 4-(4-chlorophenyl)-N-propyloxan-4-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-propyloxan-4-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-propyloxan-4-amine is CCCNC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-propyloxan-4-amine?
The InChIKey is WQEGMCLFVVHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-9-16-14(7-10-17-11-8-14)12-3-5-13(15)6-4-12/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-N-propyloxan-4-amine?
4-(4-chlorophenyl)-N-propyloxan-4-amine has a molecular weight of 253.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-propyloxan-4-amine is sourced from PubChem (CID 56783645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).