N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

C14H21ClN2 — CID 103637908

IUPACN-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H21ClN2/c1-2-17(14-6-7-14)9-8-16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeyCBNTURXVYPBPCU-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.91
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine

N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine (PubChem CID 103637908) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
PubChem CID103637908
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H21ClN2/c1-2-17(14-6-7-14)9-8-16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeyCBNTURXVYPBPCU-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 103637921
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
4-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]-2-fluorophenol
CID 107918553
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637935
N-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240464
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
N-[(2-bromo-4-methylphenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103844980
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103637912
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine (CID 103637908) is N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine is CCN(CCNCc1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
The InChIKey is CBNTURXVYPBPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-17(14-6-7-14)9-8-16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine?
N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103637908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).