1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine

C16H26N2O — CID 116961202

IUPAC1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1cc(C(C)C)c(OC)cc1C)C1(N)CC1
InChIInChI=1S/C16H26N2O/c1-10(2)12-9-13(11(3)8-14(12)19-5)15(18-4)16(17)6-7-16/h8-10,15,18H,6-7,17H2,1-5H3
InChIKeyTXNXKUONUWSSFX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds5

About 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine

1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine (PubChem CID 116961202) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine
PubChem CID116961202
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine
SMILESCNC(c1cc(C(C)C)c(OC)cc1C)C1(N)CC1
InChIInChI=1S/C16H26N2O/c1-10(2)12-9-13(11(3)8-14(12)19-5)15(18-4)16(17)6-7-16/h8-10,15,18H,6-7,17H2,1-5H3
InChIKeyTXNXKUONUWSSFX-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(1-methylcyclopropyl)methanamine
CID 82296040
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
CID 116836167
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
1-[(5-chloro-4-methoxy-2-methylphenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 116914136
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine (CID 116961202) is 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine is CNC(c1cc(C(C)C)c(OC)cc1C)C1(N)CC1.
What is the InChIKey of 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine?
The InChIKey is TXNXKUONUWSSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)12-9-13(11(3)8-14(12)19-5)15(18-4)16(17)6-7-16/h8-10,15,18H,6-7,17H2,1-5H3.
What are the key properties of 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine?
1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116961202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).