[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine

C14H21NO — CID 116928971

IUPAC[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
SMILESCC(C)Oc1ccc(CC2(CN)CC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)16-13-5-3-12(4-6-13)9-14(10-15)7-8-14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyMDKUTNNFNPJBFX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds5

About [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine

[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine (PubChem CID 116928971) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
PubChem CID116928971
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
SMILESCC(C)Oc1ccc(CC2(CN)CC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)16-13-5-3-12(4-6-13)9-14(10-15)7-8-14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyMDKUTNNFNPJBFX-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
CID 95467774
1-[(4-propan-2-yloxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837097
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 115244732
2-[1-(aminomethyl)cyclohexyl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 116614346
[1-[(4-ethylsulfanylphenyl)methyl]cyclopropyl]methanamine
CID 116928998
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
3-[(4-propan-2-yloxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930111

Frequently Asked Questions

What is the IUPAC name of [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine (CID 116928971) is [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine is CC(C)Oc1ccc(CC2(CN)CC2)cc1.
What is the InChIKey of [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine?
The InChIKey is MDKUTNNFNPJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)16-13-5-3-12(4-6-13)9-14(10-15)7-8-14/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine?
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 116928971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).