2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine

C18H30ClNO — CID 105176676

IUPAC2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
SMILESCCCNC(CC(CC)CC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H30ClNO/c1-5-11-20-18(12-15(6-2)7-3)14(4)21-17-10-8-9-16(19)13-17/h8-10,13-15,18,20H,5-7,11-12H2,1-4H3
InChIKeyWTSDAESEXODEOZ-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.30
Rot. Bonds10

About 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine

2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine (PubChem CID 105176676) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
PubChem CID105176676
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
SMILESCCCNC(CC(CC)CC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H30ClNO/c1-5-11-20-18(12-15(6-2)7-3)14(4)21-17-10-8-9-16(19)13-17/h8-10,13-15,18,20H,5-7,11-12H2,1-4H3
InChIKeyWTSDAESEXODEOZ-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926
2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
CID 105179486
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-propylpropan-1-amine
CID 102649408
2-(3-chlorophenoxy)-5-methyloctan-3-amine
CID 105137963
2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
CID 105108066
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
2-(3-chlorophenoxy)-N,5-dimethylhex-5-en-3-amine
CID 105162977

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine (CID 105176676) is 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine is CCCNC(CC(CC)CC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine?
The InChIKey is WTSDAESEXODEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-5-11-20-18(12-15(6-2)7-3)14(4)21-17-10-8-9-16(19)13-17/h8-10,13-15,18,20H,5-7,11-12H2,1-4H3.
What are the key properties of 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine?
2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine has a molecular weight of 311.90 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine is sourced from PubChem (CID 105176676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).