4-(cyclopropylmethyl)-2-methylaniline

C11H15N — CID 131504223

IUPAC4-(cyclopropylmethyl)-2-methylaniline
SMILESCc1cc(CC2CC2)ccc1N
InChIInChI=1S/C11H15N/c1-8-6-10(4-5-11(8)12)7-9-2-3-9/h4-6,9H,2-3,7,12H2,1H3
InChIKeyFEWMVNYTRKTLKA-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.53
Rot. Bonds2

About 4-(cyclopropylmethyl)-2-methylaniline

4-(cyclopropylmethyl)-2-methylaniline (PubChem CID 131504223) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2-methylaniline.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2-methylaniline
PubChem CID131504223
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-(cyclopropylmethyl)-2-methylaniline
SMILESCc1cc(CC2CC2)ccc1N
InChIInChI=1S/C11H15N/c1-8-6-10(4-5-11(8)12)7-9-2-3-9/h4-6,9H,2-3,7,12H2,1H3
InChIKeyFEWMVNYTRKTLKA-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
2-amino-5-[[4-(methylamino)cyclohexyl]methyl]benzenethiol
CID 116998405
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
4-(aminomethyl)-2-methylaniline
CID 18727732
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
4-(chloromethyl)-2-methylaniline
CID 15510059
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926287

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2-methylaniline?
The IUPAC name of 4-(cyclopropylmethyl)-2-methylaniline (CID 131504223) is 4-(cyclopropylmethyl)-2-methylaniline.
What is the SMILES notation for 4-(cyclopropylmethyl)-2-methylaniline?
The canonical SMILES for 4-(cyclopropylmethyl)-2-methylaniline is Cc1cc(CC2CC2)ccc1N.
What is the InChIKey of 4-(cyclopropylmethyl)-2-methylaniline?
The InChIKey is FEWMVNYTRKTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-6-10(4-5-11(8)12)7-9-2-3-9/h4-6,9H,2-3,7,12H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-2-methylaniline?
4-(cyclopropylmethyl)-2-methylaniline has a molecular weight of 161.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2-methylaniline is sourced from PubChem (CID 131504223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).