N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline

C18H23N — CID 55200343

IUPACN-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
SMILESCC(Cc1ccccc1)Nc1ccccc1C(C)C
InChIInChI=1S/C18H23N/c1-14(2)17-11-7-8-12-18(17)19-15(3)13-16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3
InChIKeyKGGMDBSKKZBVIF-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.85
Rot. Bonds5

About N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline

N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline (PubChem CID 55200343) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
PubChem CID55200343
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
SMILESCC(Cc1ccccc1)Nc1ccccc1C(C)C
InChIInChI=1S/C18H23N/c1-14(2)17-11-7-8-12-18(17)19-15(3)13-16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3
InChIKeyKGGMDBSKKZBVIF-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-propan-2-ylanilino)propan-1-ol
CID 70464272
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725
2-methoxy-N-(1-phenylpropan-2-yl)pyridin-3-amine
CID 55148980
2-fluoro-6-(1-phenylpropan-2-ylamino)benzoic acid
CID 79511012
N-methyl-1-phenylpropan-2-amine
CID 118309477
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
CID 144911741
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
CID 43111805
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
1-N-methyl-2-nitro-3-N-(1-phenylpropan-2-yl)benzene-1,3-diamine
CID 80810799
4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
CID 55200364

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline?
The IUPAC name of N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline (CID 55200343) is N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline?
The canonical SMILES for N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline is CC(Cc1ccccc1)Nc1ccccc1C(C)C.
What is the InChIKey of N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline?
The InChIKey is KGGMDBSKKZBVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)17-11-7-8-12-18(17)19-15(3)13-16-9-5-4-6-10-16/h4-12,14-15,19H,13H2,1-3H3.
What are the key properties of N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline?
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline is sourced from PubChem (CID 55200343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).