1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine

C14H21NO — CID 117313154

IUPAC1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)ccc1OC(C)C
InChIInChI=1S/C14H21NO/c1-10(2)16-13-5-4-12(8-11(13)3)9-14(15)6-7-14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyZELHUBWKNDAMRI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds4

About 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine

1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117313154) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117313154
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)ccc1OC(C)C
InChIInChI=1S/C14H21NO/c1-10(2)16-13-5-4-12(8-11(13)3)9-14(15)6-7-14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyZELHUBWKNDAMRI-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
2-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]guanidine
CID 112518124
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
CID 82300056
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine (CID 117313154) is 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine is Cc1cc(CC2(N)CC2)ccc1OC(C)C.
What is the InChIKey of 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is ZELHUBWKNDAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)16-13-5-4-12(8-11(13)3)9-14(15)6-7-14/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117313154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).