2-(4-isocyanophenyl)propan-1-amine

C10H12N2 — CID 156627273

IUPAC2-(4-isocyanophenyl)propan-1-amine
SMILES[C-]#[N+]c1ccc(C(C)CN)cc1
InChIInChI=1S/C10H12N2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1H3
InChIKeyDQLNFXOCYGPIEX-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-isocyanophenyl)propan-1-amine

2-(4-isocyanophenyl)propan-1-amine (PubChem CID 156627273) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(4-isocyanophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-isocyanophenyl)propan-1-amine
PubChem CID156627273
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(4-isocyanophenyl)propan-1-amine
SMILES[C-]#[N+]c1ccc(C(C)CN)cc1
InChIInChI=1S/C10H12N2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1H3
InChIKeyDQLNFXOCYGPIEX-UHFFFAOYSA-N
XLogP2.30
TPSA30.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
p-Toluidine
CID 7813
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
3,4-Dimethylaniline
CID 7248
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
4-Isopropylaniline
CID 7464
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
2-Ethylaniline
CID 11357
4-Ethylaniline
CID 11504

Frequently Asked Questions

What is the IUPAC name of 2-(4-isocyanophenyl)propan-1-amine?
The IUPAC name of 2-(4-isocyanophenyl)propan-1-amine (CID 156627273) is 2-(4-isocyanophenyl)propan-1-amine.
What is the SMILES notation for 2-(4-isocyanophenyl)propan-1-amine?
The canonical SMILES for 2-(4-isocyanophenyl)propan-1-amine is [C-]#[N+]c1ccc(C(C)CN)cc1.
What is the InChIKey of 2-(4-isocyanophenyl)propan-1-amine?
The InChIKey is DQLNFXOCYGPIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1H3.
What are the key properties of 2-(4-isocyanophenyl)propan-1-amine?
2-(4-isocyanophenyl)propan-1-amine has a molecular weight of 160.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-isocyanophenyl)propan-1-amine is sourced from PubChem (CID 156627273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).