1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine

C16H26ClN — CID 63528266

IUPAC1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H26ClN/c1-4-6-7-14(5-2)16(18-3)12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,4-7,12H2,1-3H3
InChIKeyJSVBGIVNAPMTNE-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.69
Rot. Bonds8

About 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine

1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine (PubChem CID 63528266) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
PubChem CID63528266
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccc(Cl)cc1)NC
InChIInChI=1S/C16H26ClN/c1-4-6-7-14(5-2)16(18-3)12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,4-7,12H2,1-3H3
InChIKeyJSVBGIVNAPMTNE-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
[3-ethyl-1-(4-propan-2-ylphenyl)heptan-2-yl]hydrazine
CID 105297263
3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
CID 105029282
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
CID 105031448
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine (CID 63528266) is 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine is CCCCC(CC)C(Cc1ccc(Cl)cc1)NC.
What is the InChIKey of 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine?
The InChIKey is JSVBGIVNAPMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-6-7-14(5-2)16(18-3)12-13-8-10-15(17)11-9-13/h8-11,14,16,18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine?
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine is sourced from PubChem (CID 63528266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).