1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine

C18H30ClNO — CID 106868796

IUPAC1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)C(CCC)OCC
InChIInChI=1S/C18H30ClNO/c1-5-8-18(21-7-3)17(20-11-6-2)13-15-10-9-14(4)12-16(15)19/h9-10,12,17-18,20H,5-8,11,13H2,1-4H3
InChIKeyHRAOYDLWDPPDCN-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.76
Rot. Bonds10

About 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine

1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine (PubChem CID 106868796) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
PubChem CID106868796
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)C(CCC)OCC
InChIInChI=1S/C18H30ClNO/c1-5-8-18(21-7-3)17(20-11-6-2)13-15-10-9-14(4)12-16(15)19/h9-10,12,17-18,20H,5-8,11,13H2,1-4H3
InChIKeyHRAOYDLWDPPDCN-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(2-chloro-4-methylphenyl)-5-methoxy-N-propylpentan-2-amine
CID 106866613

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine (CID 106868796) is 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine is CCCNC(Cc1ccc(C)cc1Cl)C(CCC)OCC.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine?
The InChIKey is HRAOYDLWDPPDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-5-8-18(21-7-3)17(20-11-6-2)13-15-10-9-14(4)12-16(15)19/h9-10,12,17-18,20H,5-8,11,13H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine?
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine is sourced from PubChem (CID 106868796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).