2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline

C14H24N2 — CID 117111334

IUPAC2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline
SMILESCC(N)Cc1cc(C(C)C)ccc1N(C)C
InChIInChI=1S/C14H24N2/c1-10(2)12-6-7-14(16(4)5)13(9-12)8-11(3)15/h6-7,9-11H,8,15H2,1-5H3
InChIKeyDAJFNMVFIMNVCX-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline

2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline (PubChem CID 117111334) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline
PubChem CID117111334
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline
SMILESCC(N)Cc1cc(C(C)C)ccc1N(C)C
InChIInChI=1S/C14H24N2/c1-10(2)12-6-7-14(16(4)5)13(9-12)8-11(3)15/h6-7,9-11H,8,15H2,1-5H3
InChIKeyDAJFNMVFIMNVCX-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
2-fluoro-N,N-dimethyl-5-propan-2-ylaniline
CID 134375648
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
CID 117291412
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 114061965
1-(5-propan-2-yl-1-benzofuran-7-yl)propan-2-amine;hydrochloride
CID 22144863
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 63817744
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
4-(2-aminopropyl)-3-chloro-N,N-dimethylaniline;dihydrochloride
CID 3043609
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline?
The IUPAC name of 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline (CID 117111334) is 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline?
The canonical SMILES for 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline is CC(N)Cc1cc(C(C)C)ccc1N(C)C.
What is the InChIKey of 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline?
The InChIKey is DAJFNMVFIMNVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)12-6-7-14(16(4)5)13(9-12)8-11(3)15/h6-7,9-11H,8,15H2,1-5H3.
What are the key properties of 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline?
2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline is sourced from PubChem (CID 117111334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).