1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine

C14H20ClNO — CID 104987543

IUPAC1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO/c1-4-6-7-13(16-5-2)12-10-11(15)8-9-14(12)17-3/h4,8-10,13,16H,1,5-7H2,2-3H3
InChIKeyDYDZNNGKNNXUQG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.97
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine

1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine (PubChem CID 104987543) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
PubChem CID104987543
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO/c1-4-6-7-13(16-5-2)12-10-11(15)8-9-14(12)17-3/h4,8-10,13,16H,1,5-7H2,2-3H3
InChIKeyDYDZNNGKNNXUQG-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394
1-(5-chloro-2-methoxyphenyl)-N-methyloct-7-en-1-amine
CID 107011816
1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
1-(5-chloro-2-methoxyphenyl)-N-ethylbut-3-yn-1-amine
CID 114977581
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine (CID 104987543) is 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine?
The InChIKey is DYDZNNGKNNXUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-6-7-13(16-5-2)12-10-11(15)8-9-14(12)17-3/h4,8-10,13,16H,1,5-7H2,2-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine?
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 104987543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).