1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine

C11H14Cl2N2 — CID 116961270

IUPAC1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1(N)CC1
InChIInChI=1S/C11H14Cl2N2/c1-15-10(11(14)4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,15H,4-5,14H2,1H3
InChIKeyBHUATDWEBXINRI-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.75
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine

1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine (PubChem CID 116961270) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
PubChem CID116961270
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1(N)CC1
InChIInChI=1S/C11H14Cl2N2/c1-15-10(11(14)4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,15H,4-5,14H2,1H3
InChIKeyBHUATDWEBXINRI-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961162
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958075
1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
CID 116961273
[(3,4-dichlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281293
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220
6-[(1-aminocyclopropyl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116961235
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine (CID 116961270) is 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine is CNC(c1ccc(Cl)c(Cl)c1)C1(N)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
The InChIKey is BHUATDWEBXINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-15-10(11(14)4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6,10,15H,4-5,14H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine?
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine has a molecular weight of 245.15 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).