N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline

C17H20N2 — CID 115256508

IUPACN-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
SMILESCN(CC1(N)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-19(13-17(18)11-12-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-13,18H2,1H3
InChIKeySIRZJGRQZACHIS-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.28
Rot. Bonds4

About N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline

N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline (PubChem CID 115256508) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
PubChem CID115256508
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
SMILESCN(CC1(N)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-19(13-17(18)11-12-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-13,18H2,1H3
InChIKeySIRZJGRQZACHIS-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline (CID 115256508) is N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline is CN(CC1(N)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline?
The InChIKey is SIRZJGRQZACHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(13-17(18)11-12-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-13,18H2,1H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline?
N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline has a molecular weight of 252.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline is sourced from PubChem (CID 115256508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).