N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine

C14H14BrClN2 — CID 43689806

IUPACN-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
SMILESCCC(Nc1cccnc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrClN2/c1-2-12(10-5-7-11(15)8-6-10)18-13-4-3-9-17-14(13)16/h3-9,12,18H,2H2,1H3
InChIKeyLLACMDAXKYYGLZ-UHFFFAOYSA-N
MW325.64 g/mol
LogP5.06
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine

N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine (PubChem CID 43689806) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
PubChem CID43689806
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
SMILESCCC(Nc1cccnc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrClN2/c1-2-12(10-5-7-11(15)8-6-10)18-13-4-3-9-17-14(13)16/h3-9,12,18H,2H2,1H3
InChIKeyLLACMDAXKYYGLZ-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.64
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
CID 43102521
[(1R)-1-(4-bromophenyl)propyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710771
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
N-[1-(4-bromophenyl)propyl]-2-nitroaniline
CID 43218014
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
4-[1-(quinolin-5-ylamino)propyl]phenol
CID 43192379
N-[1-(4-methylphenyl)propyl]quinolin-5-amine
CID 43100216
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine (CID 43689806) is N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine is CCC(Nc1cccnc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine?
The InChIKey is LLACMDAXKYYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-2-12(10-5-7-11(15)8-6-10)18-13-4-3-9-17-14(13)16/h3-9,12,18H,2H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine?
N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine has a molecular weight of 325.64 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine is sourced from PubChem (CID 43689806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).