1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine

C14H21NO — CID 117313353

IUPAC1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(OCC2CC2)cc1
InChIInChI=1S/C14H21NO/c1-14(2,15)9-11-5-7-13(8-6-11)16-10-12-3-4-12/h5-8,12H,3-4,9-10,15H2,1-2H3
InChIKeyDHHNCZGWVKSOOI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine

1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine (PubChem CID 117313353) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
PubChem CID117313353
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(OCC2CC2)cc1
InChIInChI=1S/C14H21NO/c1-14(2,15)9-11-5-7-13(8-6-11)16-10-12-3-4-12/h5-8,12H,3-4,9-10,15H2,1-2H3
InChIKeyDHHNCZGWVKSOOI-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-[3-chloro-5-(cyclobutylmethoxy)phenyl]-2-methylpropan-2-amine
CID 117423442
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
1-(chloromethyl)-4-[[4-[[4-(chloromethyl)phenoxy]methyl]cyclohexyl]methoxy]benzene
CID 22416597
2-methyl-1-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 95444849
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581
1-[4-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296328
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
cyclopropylmethoxybenzene
CID 12712156
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine (CID 117313353) is 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine?
The InChIKey is DHHNCZGWVKSOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,15)9-11-5-7-13(8-6-11)16-10-12-3-4-12/h5-8,12H,3-4,9-10,15H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine?
1-[4-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine 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-(cyclopropylmethoxy)phenyl]-2-methylpropan-2-amine is sourced from PubChem (CID 117313353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).