(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride

C14H22ClNO — CID 171230371

IUPAC(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
SMILESCC(C)Oc1ccc([C@@H](N)CC2CC2)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)16-13-7-5-12(6-8-13)14(15)9-11-3-4-11;/h5-8,10-11,14H,3-4,9,15H2,1-2H3;1H/t14-;/m0./s1
InChIKeyDECNNOGUASCXRY-UQKRIMTDSA-N
MW255.79 g/mol
LogP3.70
Rot. Bonds5

About (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride

(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride (PubChem CID 171230371) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
PubChem CID171230371
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
SMILESCC(C)Oc1ccc([C@@H](N)CC2CC2)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)16-13-7-5-12(6-8-13)14(15)9-11-3-4-11;/h5-8,10-11,14H,3-4,9,15H2,1-2H3;1H/t14-;/m0./s1
InChIKeyDECNNOGUASCXRY-UQKRIMTDSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
(1S)-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine;hydrochloride
CID 171230366
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride (CID 171230371) is (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride is CC(C)Oc1ccc([C@@H](N)CC2CC2)cc1.Cl.
What is the InChIKey of (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The InChIKey is DECNNOGUASCXRY-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-10(2)16-13-7-5-12(6-8-13)14(15)9-11-3-4-11;/h5-8,10-11,14H,3-4,9,15H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171230371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).