2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline

C21H26N2 — CID 174266299

IUPAC2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline
SMILESC=C(NC(c1ccc(C(C)C)cc1)c1ccccc1N)C1CC1
InChIInChI=1S/C21H26N2/c1-14(2)16-8-12-18(13-9-16)21(23-15(3)17-10-11-17)19-6-4-5-7-20(19)22/h4-9,12-14,17,21,23H,3,10-11,22H2,1-2H3
InChIKeyYJXMTGYCYUAXPZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.99
Rot. Bonds6

About 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline

2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 174266299) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline
PubChem CID174266299
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline
SMILESC=C(NC(c1ccc(C(C)C)cc1)c1ccccc1N)C1CC1
InChIInChI=1S/C21H26N2/c1-14(2)16-8-12-18(13-9-16)21(23-15(3)17-10-11-17)19-6-4-5-7-20(19)22/h4-9,12-14,17,21,23H,3,10-11,22H2,1-2H3
InChIKeyYJXMTGYCYUAXPZ-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
2-[(R)-[4-(aminomethyl)phenyl]-(1-cyclopropylethenylamino)methyl]-N-[1-(azetidin-3-yl)ethenyl]aniline
CID 171097043
N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-3-carboxamide
CID 171097049
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
(2S)-1-acetyl-N-[2-[(R)-(cyclopropanecarbonylamino)-(4-propan-2-ylphenyl)methyl]phenyl]azetidine-2-carboxamide
CID 171097020
N-[(2-aminophenyl)-phenylmethyl]piperidin-1-amine
CID 13409632
1-(cyclopropylmethyl)-N-[2-[[(2-fluorocyclopropanecarbonyl)amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097066
1-(cyclopropylmethyl)-N-[2-[(R)-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097053
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
[4-[(S)-[1-(1-methylpyrrolidin-2-yl)ethenylamino]-phenylmethyl]phenyl]methanediamine
CID 165139370
(1S)-1-(2-aminophenyl)ethanol
CID 12749796

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline (CID 174266299) is 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline is C=C(NC(c1ccc(C(C)C)cc1)c1ccccc1N)C1CC1.
What is the InChIKey of 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is YJXMTGYCYUAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-14(2)16-8-12-18(13-9-16)21(23-15(3)17-10-11-17)19-6-4-5-7-20(19)22/h4-9,12-14,17,21,23H,3,10-11,22H2,1-2H3.
What are the key properties of 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline?
2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 306.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylethenylamino)-(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 174266299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).