(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

C15H23ClN2O — CID 120833880

IUPAC(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C15H22N2O.ClH/c16-14-7-8-17(10-14)9-12-3-5-15(6-4-12)18-11-13-1-2-13;/h3-6,13-14H,1-2,7-11,16H2;1H/t14-;/m1./s1
InChIKeyLTHRDWWRIDSGNK-PFEQFJNWSA-N
MW282.81 g/mol
LogP2.43
Rot. Bonds5

About (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120833880) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120833880
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C15H22N2O.ClH/c16-14-7-8-17(10-14)9-12-3-5-15(6-4-12)18-11-13-1-2-13;/h3-6,13-14H,1-2,7-11,16H2;1H/t14-;/m1./s1
InChIKeyLTHRDWWRIDSGNK-PFEQFJNWSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120833880) is (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(Cc2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is LTHRDWWRIDSGNK-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c16-14-7-8-17(10-14)9-12-3-5-15(6-4-12)18-11-13-1-2-13;/h3-6,13-14H,1-2,7-11,16H2;1H/t14-;/m1./s1.
What are the key properties of (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120833880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).