1-[4-(dichloromethyl)phenyl]propan-2-amine

C10H13Cl2N — CID 67566603

IUPAC1-[4-(dichloromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(C(Cl)Cl)cc1
InChIInChI=1S/C10H13Cl2N/c1-7(13)6-8-2-4-9(5-3-8)10(11)12/h2-5,7,10H,6,13H2,1H3
InChIKeyWFDZSQBCAXIGOV-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-(dichloromethyl)phenyl]propan-2-amine

1-[4-(dichloromethyl)phenyl]propan-2-amine (PubChem CID 67566603) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-[4-(dichloromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(dichloromethyl)phenyl]propan-2-amine
PubChem CID67566603
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-[4-(dichloromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(C(Cl)Cl)cc1
InChIInChI=1S/C10H13Cl2N/c1-7(13)6-8-2-4-9(5-3-8)10(11)12/h2-5,7,10H,6,13H2,1H3
InChIKeyWFDZSQBCAXIGOV-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine
CID 83886053
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
azane;1-phenylpropan-2-amine
CID 67350534
1-(4-trimethylsilylphenyl)propan-2-amine
CID 130016681
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dichloromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(dichloromethyl)phenyl]propan-2-amine (CID 67566603) is 1-[4-(dichloromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(dichloromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(dichloromethyl)phenyl]propan-2-amine is CC(N)Cc1ccc(C(Cl)Cl)cc1.
What is the InChIKey of 1-[4-(dichloromethyl)phenyl]propan-2-amine?
The InChIKey is WFDZSQBCAXIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-7(13)6-8-2-4-9(5-3-8)10(11)12/h2-5,7,10H,6,13H2,1H3.
What are the key properties of 1-[4-(dichloromethyl)phenyl]propan-2-amine?
1-[4-(dichloromethyl)phenyl]propan-2-amine has a molecular weight of 218.13 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dichloromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 67566603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).