1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine

C10H12Cl2N2 — CID 116947104

IUPAC1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine
SMILESNC(c1ccc(Cl)cc1Cl)C1(N)CC1
InChIInChI=1S/C10H12Cl2N2/c11-6-1-2-7(8(12)5-6)9(13)10(14)3-4-10/h1-2,5,9H,3-4,13-14H2
InChIKeyDAOHALIGMALBKF-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.48
Rot. Bonds2

About 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine

1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine (PubChem CID 116947104) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine
PubChem CID116947104
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine
SMILESNC(c1ccc(Cl)cc1Cl)C1(N)CC1
InChIInChI=1S/C10H12Cl2N2/c11-6-1-2-7(8(12)5-6)9(13)10(14)3-4-10/h1-2,5,9H,3-4,13-14H2
InChIKeyDAOHALIGMALBKF-UHFFFAOYSA-N
XLogP2.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(1-methylcyclopropyl)methanamine
CID 130517016
(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
CID 116944995
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine (CID 116947104) is 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine is NC(c1ccc(Cl)cc1Cl)C1(N)CC1.
What is the InChIKey of 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is DAOHALIGMALBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-6-1-2-7(8(12)5-6)9(13)10(14)3-4-10/h1-2,5,9H,3-4,13-14H2.
What are the key properties of 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine?
1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 231.13 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116947104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).