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

C11H14Cl2N2 — CID 11382802

IUPAC1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(14)7-15/h1-2,5,9H,3-4,6-7,14H2
InChIKeyKHSDVPAAMUJDFE-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.53
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 11382802) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
PubChem CID11382802
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(14)7-15/h1-2,5,9H,3-4,6-7,14H2
InChIKeyKHSDVPAAMUJDFE-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491207
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine (CID 11382802) is 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is KHSDVPAAMUJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(14)7-15/h1-2,5,9H,3-4,6-7,14H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine?
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 245.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11382802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).